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This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
hose_lotusv7
1 Q 56.00 56.57
3 S 165.30 163.46
4 D 114.80 113.5
5 D 132.80 131.5
6 S 123.30 122.88
7 S 167.60 166.1
10 T 67.60 66.91
11 S 79.00 80.03
13 T 75.00 75.4
15 D 110.70 110.5
17 T 68.60 68.64
18 D 76.80 77.01
20 D 104.40 104.4
22 T 72.10 72.2
23 T 36.40 34.63
24 S 130.80 130.21
25 D 130.90 130.52
26 D 116.10 116.06
27 S 156.75 156.01
29 D 116.10 116.06
30 D 130.90 130.52
31 T 75.00 75.1
33 D 78.10 78.1
35 D 71.70 71.8
37 D 78.50 77.6
39 D 132.80 131.5
40 D 114.80 113.5





Spectral Data   Additional Data   Download  
Type: 13C
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 Q 56.57 56.0
3 S 163.46 165.3
4 D 113.50 114.8
5 D 131.50 132.8
6 S 122.88 123.3
7 S 166.10 167.6
10 T 66.91 67.6
11 S 80.03 79.0
13 T 75.40 75.0
15 D 110.50 110.7
17 T 68.64 68.6
18 D 77.01 76.8
20 D 104.40 104.4
22 T 72.20 72.1
23 T 34.63 36.4
24 S 130.21 130.8
25 D 130.52 130.9
26 D 116.06 116.1
27 S 156.01 156.75
29 D 116.06 116.1
30 D 130.52 130.9
31 D 75.10 75.0
33 D 78.10 78.1
35 D 71.80 71.7
37 D 77.60 78.5
39 D 131.50 132.8
40 D 113.50 114.8






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